SCHEMBL5506470

SCHEMBL5506470

O=C1CCCN1C1CCCC(Cc2ccc(-c3ccc(Cl)nc3)cc2Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.40
PIK3CA P42336 2/20 0.35
CD38 P28907 1/20 0.34
ERN1 O75460 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LTA4H P09960 2/20 0.33
P2RX7 Q99572 2/20 0.32
MELK Q14680 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
CNR2 P34972 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5509832 0.92 NPY5R (0.41) NPY5RCD38PDCD1LG2CD274P2RX7
SCHEMBL5505896 0.92 NPY5R (0.39) NPY5RPIK3CACD38CNR2
Hydrochloric Acid SCHEMBL5506013 0.91 NPY5R (0.40) NPY5RCD38PDCD1LG2CD274P2RX7
SCHEMBL5504552 0.89 NPY5R (0.34) NPY5RCD38PDCD1LG2CD274P2RX7
SCHEMBL5500238 0.89 DPP4 (0.41) NPY5RPIK3CAPDCD1LG2CD274LTA4H
SCHEMBL5506141 0.88 CD38 (0.35) NPY5RCD38PDCD1LG2CD274P2RX7
SCHEMBL5499996 0.88 CNR1 (0.38)
SCHEMBL5506180 0.87 AAK1 (0.34) NPY5RCD38PDCD1LG2CD274P2RX7
SCHEMBL5504232 0.87 CTSS (0.36) NPY5RPDCD1LG2CD274P2RX7CNR2
Hydrochloric Acid SCHEMBL5504549 0.87 CNR1 (0.38)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed